[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate

C23H27N5O6 — CID 2414714

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
SMILESCCCCn1c(=O)c(CCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2ccccc21
InChIInChI=1S/C23H27N5O6/c1-4-5-12-28-16-9-7-6-8-14(16)25-15(21(28)31)10-11-18(30)34-13-17(29)19-20(24)26(2)23(33)27(3)22(19)32/h6-9H,4-5,10-13,24H2,1-3H3
InChIKeyYTQRSMWWCJFDTO-UHFFFAOYSA-N
MW469.50 g/mol
LogP0.53
Rot. Bonds9

About [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate (PubChem CID 2414714) has the molecular formula C23H27N5O6 and a molecular weight of 469.50 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
PubChem CID2414714
Molecular FormulaC23H27N5O6
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
SMILESCCCCn1c(=O)c(CCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2ccccc21
InChIInChI=1S/C23H27N5O6/c1-4-5-12-28-16-9-7-6-8-14(16)25-15(21(28)31)10-11-18(30)34-13-17(29)19-20(24)26(2)23(33)27(3)22(19)32/h6-9H,4-5,10-13,24H2,1-3H3
InChIKeyYTQRSMWWCJFDTO-UHFFFAOYSA-N
XLogP0.53
TPSA148.28 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.50
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Launch Full Analysis

Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 7637882
[2-(4-ethylphenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55308579
ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate
CID 55308605
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486150
3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
CID 2432558
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55308516
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55308567
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 2557186
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 16610750
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 46606953
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 35989456
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 7637836

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate (CID 2414714) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate is CCCCn1c(=O)c(CCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2ccccc21.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate?
The InChIKey is YTQRSMWWCJFDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O6/c1-4-5-12-28-16-9-7-6-8-14(16)25-15(21(28)31)10-11-18(30)34-13-17(29)19-20(24)26(2)23(33)27(3)22(19)32/h6-9H,4-5,10-13,24H2,1-3H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate has a molecular weight of 469.50 g/mol, XLogP of 0.53, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate is sourced from PubChem (CID 2414714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).